Efficient calculation of carrier scattering rates from first principles

It is difficult to compute the transport properties of a broad array of complex materials both accurately and inexpensively. Here, the authors develop a computationally efficient method for calculating carrier scattering rates of semiconductors, with good accuracy but low cost.

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Bibliographic Details
Main Authors: Alex M. Ganose, Junsoo Park, Alireza Faghaninia, Rachel Woods-Robinson, Kristin A. Persson, Anubhav Jain
Format: article
Language:EN
Published: Nature Portfolio 2021
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Online Access:https://doaj.org/article/b3e227b459b84029a89a7b83e5ac85a0
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Summary:It is difficult to compute the transport properties of a broad array of complex materials both accurately and inexpensively. Here, the authors develop a computationally efficient method for calculating carrier scattering rates of semiconductors, with good accuracy but low cost.